9-(3,4-Dimethoxyphenyl)-6-(3-hydroxy-4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Basic information
- CAS
347351-97-7- Standard SMILES
COc1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccc(OC)c(OC)c2)C3)cc1O- InChIKey
MPTQTIYSHCTNCN-UHFFFAOYSA-N- Molecular formula
- C28H28N2O5
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.199822
Names & identifiers
- Preferred name
- 9-(3,4-Dimethoxyphenyl)-6-(3-hydroxy-4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 9-(3,4-dimethoxyphenyl)-6-(3-hydroxy-4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- English name
- 3-(3,4-dimethoxyphenyl)-11-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- Molecular formula
- C28H28N2O5
- Molecular weight
- 472.53232
Names & synonyms
3-(3,4-dimethoxyphenyl)-11-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneChemDiv1_016048MixCom6_000208Oprea1_109038Oprea1_406493HMS632J10STK364183AKOS000580763AKOS021856651CCG-2005369-(3,4-dimethoxyphenyl)-6-(3-hydroxy-4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-oneAG-205/15157815
Show more names
SR-01000585092SR-01000585092-1
Database identifiers
- CAS
347351-97-7- PubChem CID
- 3143555
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 787
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…